#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c5c s PRO 2 N 0.00 4.00 0.57 -2.82 0.04 -1.26 -4.81 135.00 130.72 2c5c s PRO 2 Ca 0.00 1.80 -0.19 0.00 0.04 0.00 0.00 61.00 62.65 2c5c s PRO 2 Cb 0.00 -2.60 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 2c5c s PRO 2 CO 0.00 -0.36 0.96 -0.25 0.04 0.00 0.00 177.00 177.39 2c5c n ASP 3 N -0.06 0.80 0.07 6.66 9.92 -1.26 -1.87 116.55 130.81 2c5c n ASP 3 Ca 0.05 0.84 0.00 0.00 -0.53 0.00 0.00 54.79 55.15 2c5c n ASP 3 Cb 0.47 -1.38 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 2c5c n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2c5c s VAL 5 N -2.00 0.14 -0.03 0.00 -7.23 -1.19 -5.03 120.40 105.06 2c5c s VAL 5 Ca 0.00 -1.15 0.03 0.00 -1.81 0.00 0.00 61.98 59.05 2c5c s VAL 5 Cb 0.00 -0.67 -0.00 0.00 0.56 0.00 0.00 36.38 36.27 2c5c s VAL 5 CO 0.00 -0.63 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.14 2c5c s THR 6 N -2.23 1.06 -2.02 5.32 2.01 -1.26 -1.72 115.64 116.80 2c5c s THR 6 Ca -0.09 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.39 2c5c s THR 6 Cb -0.04 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.54 2c5c s THR 6 CO -0.04 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 2c5c n GLY 7 N 3.17 -1.48 3.87 4.40 0.00 -0.44 -4.41 105.19 110.31 2c5c n GLY 7 Ca -0.18 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 2c5c n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c5c s LYS 8 N -1.20 3.70 -0.63 1.61 1.02 -1.26 0.40 119.74 123.38 2c5c s LYS 8 Ca 0.00 0.65 -0.27 0.00 0.02 0.00 0.00 55.97 56.37 2c5c s LYS 8 Cb 0.00 -2.19 0.02 0.00 -0.52 0.00 0.00 37.83 35.14 2c5c s LYS 8 CO 0.00 -0.35 1.37 0.08 -0.92 0.00 0.00 175.35 175.52 2c5c s VAL 9 N -2.85 3.77 0.18 3.17 1.01 -1.26 -4.46 120.40 119.96 2c5c s VAL 9 Ca 0.54 0.58 -0.13 0.00 0.00 0.00 0.00 61.98 62.97 2c5c s VAL 9 Cb -0.10 -4.61 0.08 0.00 0.00 0.00 0.00 36.38 31.74 2c5c s VAL 9 CO 0.44 -1.42 1.84 -0.08 0.00 0.00 0.00 175.10 175.88 2c5c h GLU 10 N 10.78 0.73 -2.39 2.72 4.81 -1.32 -3.46 114.58 126.45 2c5c h GLU 10 Ca -0.27 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.02 2c5c h GLU 10 Cb 1.08 -0.17 -0.14 0.00 0.63 0.00 0.00 28.75 30.15 2c5c h GLU 10 CO 1.22 0.49 0.45 1.52 -0.73 0.00 0.00 179.01 181.96 2c5c s TYR 11 N -6.15 -0.35 0.20 0.92 -0.85 -1.25 -5.01 117.35 104.86 2c5c s TYR 11 Ca -0.13 0.19 0.09 0.00 -0.52 0.00 0.00 57.07 56.70 2c5c s TYR 11 Cb 0.13 0.55 -0.05 0.00 0.38 0.00 0.00 41.96 42.98 2c5c s TYR 11 CO 0.75 -0.62 -0.17 0.95 -1.52 0.00 0.00 175.55 174.95 2c5c s THR 12 N -3.22 1.89 -0.03 -3.49 -4.23 -1.26 -1.39 115.64 103.90 2c5c s THR 12 Ca 0.05 -2.13 -0.01 0.00 -1.18 0.00 0.00 61.69 58.42 2c5c s THR 12 Cb -0.01 -2.01 0.03 0.00 1.34 0.00 0.00 72.50 71.85 2c5c s THR 12 CO -0.08 -0.46 0.03 -0.75 -0.54 0.00 0.00 174.62 172.82 2c5c s LYS 13 N -3.30 0.04 0.02 3.99 2.20 0.24 -4.95 119.74 117.98 2c5c s LYS 13 Ca 0.21 0.22 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 2c5c s LYS 13 Cb -0.03 -0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 35.85 2c5c s LYS 13 CO 0.08 -0.22 0.93 -0.47 -0.36 0.00 0.00 175.35 175.32 2c5c s TYR 14 N 1.43 3.70 0.31 4.03 6.14 -1.26 0.37 117.35 132.06 2c5c s TYR 14 Ca -0.04 1.66 0.08 0.00 0.64 0.00 0.00 57.07 59.41 2c5c s TYR 14 Cb -0.13 -3.05 -0.04 0.00 0.42 0.00 0.00 41.96 39.16 2c5c s TYR 14 CO -0.03 0.07 0.13 -0.80 0.64 0.00 0.00 175.55 175.57 2c5c s ASN 15 N 0.66 4.85 0.54 4.32 0.01 -0.52 -4.95 114.94 119.84 2c5c s ASN 15 Ca 0.48 -0.62 0.31 0.00 -0.71 0.00 0.00 52.86 52.32 2c5c s ASN 15 Cb -0.21 -0.89 1.55 0.00 0.41 0.00 0.00 41.25 42.10 2c5c s ASN 15 CO 0.27 -0.18 2.08 -0.78 -1.51 0.00 0.00 177.10 176.98 2c5c h ASP 16 N 1.59 0.00 -0.73 -1.22 3.58 -1.97 -1.83 116.42 115.84 2c5c h ASP 16 Ca -0.45 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 56.71 2c5c h ASP 16 Cb 1.25 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.12 2c5c h ASP 16 CO 0.61 0.09 0.37 -0.90 -2.88 0.00 0.00 179.24 176.53 2c5c n ASP 17 N -3.42 4.11 -1.62 2.28 5.75 -1.26 -4.91 116.55 117.48 2c5c n ASP 17 Ca -0.01 -3.17 -0.16 0.00 -0.01 0.00 0.00 54.79 51.43 2c5c n ASP 17 Cb 0.24 -0.75 -0.06 0.00 -1.03 0.00 0.00 41.12 39.53 2c5c n ASP 17 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2c5c n ASP 18 N -0.42 -4.29 -4.95 -1.12 8.00 -0.69 -4.99 116.55 108.09 2c5c n ASP 18 Ca 0.42 0.35 -0.23 0.00 0.71 0.00 0.00 54.79 56.03 2c5c n ASP 18 Cb 1.35 -3.86 0.04 0.00 -0.02 0.00 0.00 41.12 38.64 2c5c n ASP 18 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2c5c s THR 19 N -2.42 2.88 -0.11 -3.53 -4.23 -1.26 -4.90 115.64 102.07 2c5c s THR 19 Ca 0.00 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 2c5c s THR 19 Cb 0.00 -3.13 0.02 0.00 1.34 0.00 0.00 72.50 70.73 2c5c s THR 19 CO 0.00 -0.11 -0.09 0.12 -0.54 0.00 0.00 174.62 174.00 2c5c s PHE 20 N -2.90 1.52 0.05 3.99 5.36 -1.04 -1.44 117.98 123.52 2c5c s PHE 20 Ca 0.56 -0.73 0.01 0.00 -0.96 0.00 0.00 56.93 55.80 2c5c s PHE 20 Cb -0.10 -1.23 -0.04 0.00 -0.34 0.00 0.00 43.02 41.31 2c5c s PHE 20 CO 0.41 -0.48 0.15 0.99 -1.46 0.00 0.00 175.22 174.83 2c5c s THR 21 N 1.50 5.05 0.00 0.12 2.01 0.16 -2.02 115.64 122.47 2c5c s THR 21 Ca 0.01 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2c5c s THR 21 Cb -0.13 -3.42 -0.00 0.00 0.01 0.00 0.00 72.50 68.95 2c5c s THR 21 CO -0.06 0.19 -0.01 0.54 -0.69 0.00 0.00 174.62 174.58 2c5c s VAL 22 N -1.41 0.07 -0.23 3.82 0.11 -0.43 0.79 120.40 123.13 2c5c s VAL 22 Ca 0.31 -0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 59.13 2c5c s VAL 22 Cb -0.13 -0.10 0.02 0.00 -1.53 0.00 0.00 36.38 34.64 2c5c s VAL 22 CO 0.23 -0.09 -0.08 -0.75 -3.33 0.00 0.00 175.10 171.08 2c5c s LYS 23 N -0.31 2.92 -0.01 1.54 2.47 -0.49 -1.43 119.74 124.43 2c5c s LYS 23 Ca -0.03 -0.91 0.01 0.00 -1.56 0.00 0.00 55.97 53.48 2c5c s LYS 23 Cb -0.02 -2.91 0.01 0.00 -1.46 0.00 0.00 37.83 33.45 2c5c s LYS 23 CO -0.00 -0.34 -0.01 0.08 0.16 0.00 0.00 175.35 175.23 2c5c s VAL 24 N 1.33 0.20 0.00 4.02 1.01 -0.99 -0.74 120.40 125.23 2c5c s VAL 24 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2c5c s VAL 24 Cb -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.00 2c5c s VAL 24 CO -0.06 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2c5c n GLY 25 N 3.54 2.63 1.38 4.51 0.00 -1.26 -2.24 105.19 113.75 2c5c n GLY 25 Ca -0.19 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.51 2c5c n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2c5c n ASP 26 N 0.24 4.07 -4.31 1.61 5.75 -1.26 -4.94 116.55 117.71 2c5c n ASP 26 Ca 0.00 -2.34 -0.32 0.00 -0.01 0.00 0.00 54.79 52.12 2c5c n ASP 26 Cb 0.00 -0.52 -0.16 0.00 -1.03 0.00 0.00 41.12 39.41 2c5c n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2c5c s LYS 27 N -1.74 2.65 -0.27 0.11 -0.14 -0.95 -4.93 119.74 114.47 2c5c s LYS 27 Ca 0.44 -0.85 -0.10 0.00 -1.36 0.00 0.00 55.97 54.10 2c5c s LYS 27 Cb 0.28 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 34.13 2c5c s LYS 27 CO 0.22 0.40 0.16 -2.00 -0.76 0.00 0.00 175.35 173.37 2c5c s GLU 28 N -0.19 3.86 0.13 1.68 2.12 -1.26 -2.36 118.70 122.68 2c5c s GLU 28 Ca -0.02 -0.37 0.04 0.00 0.36 0.00 0.00 54.97 54.98 2c5c s GLU 28 Cb -0.14 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 2c5c s GLU 28 CO 0.03 -0.19 -0.10 -0.51 -0.54 0.00 0.00 175.26 173.96 2c5c s LEU 29 N 1.72 2.50 0.14 2.70 1.43 -0.51 0.04 118.68 126.70 2c5c s LEU 29 Ca 0.07 -0.96 0.06 0.00 -1.03 0.00 0.00 54.13 52.26 2c5c s LEU 29 Cb -0.16 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 2c5c s LEU 29 CO 0.09 -0.33 -0.13 0.72 0.23 0.00 0.00 176.35 176.93 2c5c s PHE 30 N -3.15 1.41 -0.02 0.29 -0.71 -0.65 -1.31 117.98 113.84 2c5c s PHE 30 Ca 0.13 -0.61 0.02 0.00 -1.04 0.00 0.00 56.93 55.43 2c5c s PHE 30 Cb 0.02 -0.72 0.01 0.00 -1.21 0.00 0.00 43.02 41.12 2c5c s PHE 30 CO -0.00 0.16 -0.06 -0.08 -1.34 0.00 0.00 175.22 173.90 2c5c s THR 31 N -2.61 0.53 -2.16 -4.49 -1.32 -0.85 -0.94 115.64 103.80 2c5c s THR 31 Ca 0.13 -0.20 0.17 0.00 -1.21 0.00 0.00 61.69 60.58 2c5c s THR 31 Cb -0.02 -0.51 0.40 0.00 -1.51 0.00 0.00 72.50 70.86 2c5c s THR 31 CO 0.03 0.19 1.44 -0.46 -2.21 0.00 0.00 174.62 173.61 2c5c n ASN 32 N 3.49 1.67 -4.62 8.08 6.94 -1.26 -2.49 115.26 127.06 2c5c n ASN 32 Ca -0.20 -1.81 -0.42 0.00 -0.02 0.00 0.00 54.58 52.13 2c5c n ASN 32 Cb 0.54 -0.15 -0.04 0.00 -2.36 0.00 0.00 39.78 37.77 2c5c n ASN 32 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2c5c s ARG 33 N -1.70 4.02 0.14 -3.83 1.81 -1.26 -4.94 118.95 113.18 2c5c s ARG 33 Ca 0.28 0.74 -0.08 0.00 -1.72 0.00 0.00 55.73 54.95 2c5c s ARG 33 Cb 0.15 -3.71 -0.05 0.00 -0.45 0.00 0.00 34.95 30.89 2c5c s ARG 33 CO 0.22 -0.68 1.38 -1.49 -0.68 0.00 0.00 175.30 174.04 2c5c h TRP 34 N 8.02 0.86 -1.13 -0.53 4.06 -1.90 -2.78 115.95 122.55 2c5c h TRP 34 Ca -0.23 -0.37 0.32 0.00 2.06 0.00 0.00 58.89 60.67 2c5c h TRP 34 Cb 1.09 -0.14 -0.10 0.00 -1.00 0.00 0.00 29.16 29.01 2c5c h TRP 34 CO 0.78 1.17 0.74 -0.91 -3.56 0.00 0.00 178.44 176.66 2c5c h ASN 35 N 0.45 0.34 1.19 -3.49 2.35 -2.00 -1.80 115.58 112.62 2c5c h ASN 35 Ca -0.03 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2c5c h ASN 35 Cb 1.33 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.74 2c5c h ASN 35 CO 0.14 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.86 2c5c h LEU 36 N 0.27 0.00 0.27 1.61 3.38 -1.92 -3.38 115.31 115.54 2c5c h LEU 36 Ca 0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.62 2c5c h LEU 36 Cb 1.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 2c5c h LEU 36 CO -0.30 0.00 -0.24 1.56 0.09 0.00 0.00 178.44 179.55 2c5c h GLN 37 N 0.00 -0.52 0.00 1.13 4.20 -1.46 0.92 115.11 119.38 2c5c h GLN 37 Ca 0.00 0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 2c5c h GLN 37 Cb 0.60 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 2c5c h GLN 37 CO 0.00 -0.34 -0.42 0.66 -0.67 0.00 0.00 178.83 178.05 2c5c h SER 38 N -0.54 0.00 -0.23 1.46 4.64 -1.77 -2.30 113.55 114.82 2c5c h SER 38 Ca -0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 2c5c h SER 38 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2c5c h SER 38 CO -0.04 0.42 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.16 2c5c h LEU 39 N 0.00 0.50 -0.72 5.97 3.38 -1.58 -1.37 115.31 121.50 2c5c h LEU 39 Ca -0.00 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 2c5c h LEU 39 Cb 1.12 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2c5c h LEU 39 CO 0.06 0.80 0.17 -0.07 0.09 0.00 0.00 178.44 179.49 2c5c h LEU 40 N 0.20 1.09 -1.09 1.67 3.38 -0.86 -0.57 115.31 119.13 2c5c h LEU 40 Ca 0.05 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2c5c h LEU 40 Cb 0.61 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2c5c h LEU 40 CO 0.03 1.04 0.19 0.25 0.09 0.00 0.00 178.44 180.05 2c5c h LEU 41 N 1.08 0.78 -0.66 1.67 5.85 -1.37 -0.49 115.31 122.17 2c5c h LEU 41 Ca 0.22 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 2c5c h LEU 41 Cb 0.38 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2c5c h LEU 41 CO 0.00 0.72 -0.07 0.28 -0.34 0.00 0.00 178.44 179.03 2c5c h SER 42 N 0.83 0.96 0.02 1.25 0.02 -0.55 0.61 113.55 116.69 2c5c h SER 42 Ca 0.19 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 60.74 2c5c h SER 42 Cb 0.22 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2c5c h SER 42 CO -0.01 1.06 -0.32 0.00 -1.14 0.00 0.00 176.83 176.41 2c5c h ALA 43 N 1.03 1.05 0.11 3.77 0.00 -0.86 -0.96 119.26 123.39 2c5c h ALA 43 Ca 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2c5c h ALA 43 Cb 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2c5c h ALA 43 CO 0.04 0.58 -0.05 0.37 0.00 0.00 0.00 179.25 180.19 2c5c h GLN 44 N 0.38 -0.14 -0.62 0.00 4.15 -0.44 -1.25 115.11 117.18 2c5c h GLN 44 Ca 0.05 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 2c5c h GLN 44 Cb 0.76 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.45 2c5c h GLN 44 CO 0.06 0.22 0.29 0.82 -1.93 0.00 0.00 178.83 178.29 2c5c h ILE 45 N -0.53 1.22 -0.01 2.39 2.04 -0.82 -2.71 117.51 119.10 2c5c h ILE 45 Ca -0.01 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2c5c h ILE 45 Cb 0.43 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2c5c h ILE 45 CO 0.02 0.26 -0.04 0.35 0.00 0.00 0.00 178.15 178.74 2c5c n THR 46 N -4.49 0.00 -1.61 -0.27 -2.24 -0.37 -4.93 114.28 100.36 2c5c n THR 46 Ca 0.04 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 2c5c n THR 46 Cb 0.13 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 2c5c n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c5c n GLY 47 N 1.16 0.70 3.74 3.38 0.00 -0.92 -5.01 105.19 108.24 2c5c n GLY 47 Ca 0.19 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 2c5c n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2c5c s MET 48 N -3.44 2.71 -0.24 1.61 -1.94 -0.52 -4.94 119.30 112.54 2c5c s MET 48 Ca 0.00 1.94 -0.17 0.00 -1.71 0.00 0.00 55.69 55.76 2c5c s MET 48 Cb 0.00 -1.88 -0.03 0.00 2.01 0.00 0.00 34.83 34.93 2c5c s MET 48 CO 0.00 -1.44 0.46 0.99 -0.01 0.00 0.00 175.02 175.01 2c5c s THR 49 N -1.52 5.13 0.22 2.05 2.01 -1.15 -4.06 115.64 118.31 2c5c s THR 49 Ca 0.80 0.78 0.09 0.00 0.31 0.00 0.00 61.69 63.67 2c5c s THR 49 Cb -0.34 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 2c5c s THR 49 CO 0.37 0.15 -0.08 0.68 -0.69 0.00 0.00 174.62 175.05 2c5c s VAL 50 N 1.98 3.20 -0.09 3.82 -7.23 0.16 -1.44 120.40 120.80 2c5c s VAL 50 Ca 0.19 -1.81 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 2c5c s VAL 50 Cb -0.15 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.16 2c5c s VAL 50 CO 0.09 -0.22 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.58 2c5c s THR 51 N -1.97 1.69 -0.19 5.32 2.01 -0.69 -1.33 115.64 120.48 2c5c s THR 51 Ca 0.27 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 2c5c s THR 51 Cb -0.08 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2c5c s THR 51 CO 0.17 0.48 0.08 -0.63 -0.69 0.00 0.00 174.62 174.03 2c5c s ILE 52 N 0.58 4.99 -0.24 1.82 1.01 -0.70 -0.15 121.20 128.52 2c5c s ILE 52 Ca -0.15 0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 2c5c s ILE 52 Cb -0.17 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 2c5c s ILE 52 CO 0.05 0.46 0.06 -0.54 0.00 0.00 0.00 174.94 174.97 2c5c s LYS 53 N 0.32 3.68 -0.19 2.79 1.02 -0.53 -1.19 119.74 125.64 2c5c s LYS 53 Ca 0.05 -0.47 -0.28 0.00 0.02 0.00 0.00 55.97 55.29 2c5c s LYS 53 Cb -0.12 -3.27 0.08 0.00 -0.52 0.00 0.00 37.83 34.00 2c5c s LYS 53 CO -0.01 -0.12 0.77 -0.08 -0.92 0.00 0.00 175.35 175.00 2c5c s THR 54 N 1.41 0.00 -0.85 2.17 -1.32 -0.78 -3.98 115.64 112.28 2c5c s THR 54 Ca 0.05 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.80 2c5c s THR 54 Cb -0.15 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.07 2c5c s THR 54 CO 0.03 0.00 1.78 0.59 -2.21 0.00 0.00 174.62 174.81 2c5c n ASN 55 N 1.84 0.45 -3.77 8.08 5.03 -1.26 -4.12 115.26 121.49 2c5c n ASN 55 Ca -0.15 0.45 -0.42 0.00 0.87 0.00 0.00 54.58 55.33 2c5c n ASN 55 Cb 0.56 -0.53 0.01 0.00 -1.02 0.00 0.00 39.78 38.81 2c5c n ASN 55 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2c5c n ALA 56 N -1.65 5.77 -2.27 5.41 0.00 -1.26 -4.93 120.51 121.57 2c5c n ALA 56 Ca 0.06 -4.64 -0.42 0.00 0.00 0.00 0.00 53.44 48.44 2c5c n ALA 56 Cb 0.39 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.51 2c5c n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c5c s HIS 58 N 0.91 -0.46 0.23 0.00 -3.43 -1.26 -5.07 115.29 106.21 2c5c s HIS 58 Ca 0.41 0.21 -0.32 0.00 -0.80 0.00 0.00 55.06 54.56 2c5c s HIS 58 Cb 0.10 0.53 -0.13 0.00 -1.43 0.00 0.00 32.58 31.65 2c5c s HIS 58 CO -0.01 -0.87 1.57 0.09 -2.00 0.00 0.00 174.74 173.52 2c5c n ASN 59 N -0.37 3.43 0.00 7.38 3.02 -1.26 -0.95 115.26 126.51 2c5c n ASN 59 Ca -0.16 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 2c5c n ASN 59 Cb 0.64 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 2c5c n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c5c n GLY 60 N 2.81 1.14 3.84 7.41 0.00 0.11 -4.98 105.19 115.52 2c5c n GLY 60 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2c5c n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c5c s GLY 61 N -1.74 2.14 0.42 -0.02 0.00 -0.13 -4.71 107.32 103.28 2c5c s GLY 61 Ca 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 44.72 44.91 2c5c s GLY 61 CO 0.00 0.49 0.68 -0.32 0.00 0.00 0.00 173.10 173.95 2c5c s GLY 62 N -2.87 1.46 0.07 0.20 0.00 -1.26 -1.64 107.32 103.28 2c5c s GLY 62 Ca 0.59 -0.66 -0.20 0.00 0.00 0.00 0.00 44.72 44.45 2c5c s GLY 62 CO 0.27 -0.54 0.48 -0.11 0.00 0.00 0.00 173.10 173.20 2c5c s PHE 63 N -2.53 -0.35 0.00 1.90 -0.71 -0.12 -4.48 117.98 111.68 2c5c s PHE 63 Ca 0.44 0.30 0.00 0.00 -1.04 0.00 0.00 56.93 56.64 2c5c s PHE 63 Cb -0.10 0.31 0.00 0.00 -1.21 0.00 0.00 43.02 42.02 2c5c s PHE 63 CO 0.40 -0.65 0.00 -1.13 -1.34 0.00 0.00 175.22 172.50 2c5c n SER 64 N 0.28 0.51 -4.61 1.98 3.41 -1.26 -4.10 113.62 109.82 2c5c n SER 64 Ca -0.18 -0.09 -0.36 0.00 -0.26 0.00 0.00 58.87 57.97 2c5c n SER 64 Cb 0.61 0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 64.75 2c5c n SER 64 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2c5c s GLU 65 N -0.39 3.96 0.00 4.33 2.02 -1.26 -5.05 118.70 122.32 2c5c s GLU 65 Ca 0.00 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 54.68 2c5c s GLU 65 Cb 0.00 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.78 2c5c s GLU 65 CO 0.00 0.03 -0.07 0.08 0.02 0.00 0.00 175.26 175.33 2c5c s VAL 66 N 1.09 0.51 -0.15 2.63 1.01 -1.26 -1.45 120.40 122.78 2c5c s VAL 66 Ca 0.06 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2c5c s VAL 66 Cb -0.14 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.80 2c5c s VAL 66 CO 0.04 0.07 -0.20 -0.63 0.00 0.00 0.00 175.10 174.38 2c5c s ILE 67 N -0.32 2.26 -0.37 2.22 1.01 0.79 -4.97 121.20 121.82 2c5c s ILE 67 Ca 0.01 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 2c5c s ILE 67 Cb -0.03 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.54 2c5c s ILE 67 CO -0.00 0.54 0.22 -0.36 0.00 0.00 0.00 174.94 175.34 2c5c s PHE 68 N 0.84 3.24 -0.94 3.97 0.08 -1.26 -1.70 117.98 122.20 2c5c s PHE 68 Ca -0.06 -0.83 0.08 0.00 0.12 0.00 0.00 56.93 56.24 2c5c s PHE 68 Cb -0.15 -2.46 0.06 0.00 -0.57 0.00 0.00 43.02 39.90 2c5c s PHE 68 CO -0.02 -0.61 0.74 0.54 -0.10 0.00 0.00 175.22 175.77